N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

C19H20F2N2O — CID 47025388

IUPACN-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20F2N2O/c1-12(22-11-15-4-7-16(20)10-18(15)21)13-5-8-17(9-6-13)23-19(24)14-2-3-14/h4-10,12,14,22H,2-3,11H2,1H3,(H,23,24)
InChIKeyUAALOHNFINEOEM-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.16
Rot. Bonds6

About N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 47025388) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID47025388
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC NameN-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20F2N2O/c1-12(22-11-15-4-7-16(20)10-18(15)21)13-5-8-17(9-6-13)23-19(24)14-2-3-14/h4-10,12,14,22H,2-3,11H2,1H3,(H,23,24)
InChIKeyUAALOHNFINEOEM-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1R)-1-[(2,5-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 94193646
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]methyl]benzoic acid
CID 122030150
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62049142
N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025390
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[1-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46474815
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 47025388) is N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UAALOHNFINEOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-12(22-11-15-4-7-16(20)10-18(15)21)13-5-8-17(9-6-13)23-19(24)14-2-3-14/h4-10,12,14,22H,2-3,11H2,1H3,(H,23,24).
What are the key properties of N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 330.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47025388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).